butyl 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate

Systemtic Name: butyl 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: butyl 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid butyl ester IUPAC Name: butyl 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)propionic acid butyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCOC(=O)CCC1=C(N=C(NC1=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C18H22N2O4/c1-2-3-11-24-16(21)10-9-14-17(22)19-15(20-18(14)23)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,19,20,22,23)